Journal of Raman Spectroscopy

Cover image for Vol. 42 Issue 5

May 2011

Volume 42, Issue 5

Pages 885–1204

  1. Rapid Communications

    1. Top of page
    2. Rapid Communications
    3. Research Articles
    4. Short Communications
    1. Study of Raman spectrum of uranium using a surface-enhanced Raman scattering technique (pages 885–887)

      T. R. Ravindran and A. K. Arora

      Version of Record online: 1 APR 2011 | DOI: 10.1002/jrs.2926

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      Raman spectrum of uranium metal using an SERS-like geometry, where a thin gold overlayer is deposited on uranium, is reported. Raman spectra are detected from pits and scratches on the sample and not from the smooth surface. The 514.5- and 785-nm laser excitations resulted in spectra of the uranium metal but 325-nm excitation did not give rise to such spectra. The temperature dependence of the B3g mode at 126 cm−1 is also investigated.

  2. Research Articles

    1. Top of page
    2. Rapid Communications
    3. Research Articles
    4. Short Communications
    1. In vitro analysis of immersed human tissues by Raman microspectroscopy (pages 888–896)

      F. Bonnier, A. Mehmood, P. Knief, A. D. Meade, W. Hornebeck, H. Lambkin, K. Flynn, V. McDonagh, C. Healy, T. C. Lee, F. M. Lyng and H. J. Byrne

      Version of Record online: 4 NOV 2010 | DOI: 10.1002/jrs.2825

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      This study demonstrates that by measuring in immersion, Raman microscopy of tissue sections is greatly improved in terms of increased signal and signal to noise as well as reduced background. Data preprocessing is thus greatly simplified and the results significantly more reliable. The effect is understood as a significant reduction of Mie scattering of both the source laser and the Raman signal as a result of improved phase matching between the water/tissue interface compared to an air/water interface.

    2. Assessment of robustness and transferability of classification models built for cancer diagnostics using Raman spectroscopy (pages 897–903)

      Martina Sattlecker, Nick Stone, Jennifer Smith and Conrad Bessant

      Version of Record online: 26 SEP 2010 | DOI: 10.1002/jrs.2798

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      A test set of Raman spectra was corrupted in different ways, which included various linear shifts, nonlinear shifts and random noise. The pathology classes of the corrupted data were then predicted by classification models such as linear discriminant analysis (LDA), partial least square discriminant analysis (PLS-DA) and support vector machine (SVM). The observed loss in predictive performance was used for assessing the model robustness.

    3. Classification of Raman spectra using the correlation kernel (pages 904–909)

      Alexandros Kyriakides, Evdokia Kastanos, Katerina Hadjigeorgiou and Costas Pitris

      Version of Record online: 6 OCT 2010 | DOI: 10.1002/jrs.2809

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      Classification of highly-noisy Raman spectra obtained from inexpensive equipment. Such an effective classification approach using support vector machines and the correlation kernel can lead to clinically valuable diagnostic applications of Raman spectroscopy.

    4. Protein dynamics of heme–heme oxygenase-1 complex following carbon monoxide dissociation (pages 910–916)

      Masato Yamaoka, Masakazu Sugishima, Masato Noguchi, Keiichi Fukuyama and Yasuhisa Mizutani

      Version of Record online: 26 SEP 2010 | DOI: 10.1002/jrs.2797

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      Structural changes of heme-heme oxygenase-1 complex following ligand dissociation were studied by time-resolved resonance Raman spectroscopy. Spectral changes suggest structural rearrangements in the Fe–His linkage and the salt bridges of the heme propionates following carbon monoxide dissociation.

    5. In-plane deformations of the heme group in native and nonnative oxidized cytochrome c probed by resonance Raman dispersion spectroscopy (pages 917–925)

      Maria Alessi, Andrew M. Hagarman, Jonathan B. Soffer and Reinhard Schweitzer-Stenner

      Version of Record online: 15 SEP 2010 | DOI: 10.1002/jrs.2796

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      Depolarization ratios (DPRs) of several Raman bands of ferricytochrome c in nonnative alkaline states have been determined and analyzed in terms of symmetry-lowering perturbations.

    6. Amorphous, nanocrystalline and crystalline calcium carbonates in biological materials (pages 926–935)

      U. Wehrmeister, D. E. Jacob, A. L. Soldati, N. Loges, T. Häger and W. Hofmeister

      Version of Record online: 23 NOV 2010 | DOI: 10.1002/jrs.2835

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      Results for amorphous calcium carbonate (ACC) of pearls and shells were compared with those of synthetically produced ACC and with the Raman spectroscopic features of stable biogenic ACC from the crustacean Porcellio scaber. Decomposition of the most intense signal of all calcium carbonate leads to the identification of two polymorphs within the ACC areas: a mixture of an amorphous and a crystalline fraction. The amorphous phase is characterised by a broad peak in the region of the lattice modes. The full-widths at half-maximum of most of the crystalline fractions are too high for well-crystallised materials and support the reports of nanocrystalline calcium carbonate polymorph clusters in ACC. Crystallinity indices of different samples are calculated, which are found to be useful to describe roughly the state of crystallisation in the ACC areas.

    7. Glass-embedded silver nanoparticle patterns by masked ion-exchange process for surface-enhanced Raman scattering (pages 936–940)

      Ya Chen, Janne J. Jaakola, Antti Säynätjoki, Ari Tervonen and Seppo Honkanen

      Version of Record online: 26 SEP 2010 | DOI: 10.1002/jrs.2784

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      Glass-embedded silver nanoparticle patterns were fabricated by masked silver–sodium ion-exchange process followed by etching to reveal the particles for surface-enhanced Raman scattering (SERS). The intensity of the enhanced Raman signal is comparable to that of the fluorescence. The silver nanoparticle patterns embedded in glass can be used as SERS-active substrates. Nanoparticles can be formed in a glass of high optical quality and have potential to be integrated with optical waveguides for a sensor chip.

    8. Silver-coated inverse opals formed from polystyrene spheres for surface-enhanced Raman scattering (pages 941–944)

      Weiqiang Mu, Dae-Kue Hwang, Robert P. H. Chang and John B. Ketterson

      Version of Record online: 26 SEP 2010 | DOI: 10.1002/jrs.2800

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      A new substrate for SERS involving a thin silver layer deposited over an ion-etched TiO2 inverse opal is presented. The inverse opal is formed by chemically infiltrating a polystyrene opal array with TiO2 followed by a thermal decomposition of the spheres. The SERS results show that such substrates yield very high enhance factors, which can be the order of 107.

    9. Selective SERS detection of each polycyclic aromatic hydrocarbon (PAH) in a mixture of five kinds of PAHs (pages 945–950)

      Yunfei Xie, Xu Wang, Xiaoxia Han, Wei Song, Weidong Ruan, Junqiu Liu, Bing Zhao and Yukihiro Ozaki

      Version of Record online: 4 NOV 2010 | DOI: 10.1002/jrs.2818

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      The use of per-6-deoxy-(6-thio)-β-cyclodextrin (CD-SH) in combination with gold nanoparticles enabled us to investigate qualitatively and quantitatively the detection of polycyclic aromatic hydrocarbon (PAH) molecules. The substrate consisting of functionalized AuNPs with CD-SH as host provides a selective and sensitive platform for the detection of five kinds of PAH molecules.

    10. Potential-induced Raman behavior of individual (R)-di-2-naphthylprolinol molecules on a Ag-modified Ag electrode (pages 951–957)

      Zhixun Luo, Wensheng Yang, Yi Luo, Aidong Peng, Ying Ma, Hongbing Fu, Jiannian Yao and Boon H. Loo

      Version of Record online: 4 NOV 2010 | DOI: 10.1002/jrs.2819

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      The applicability of surface-enhanced Raman scattering was demonstrated to probe the adsorption behavior of individual chiral molecules on Ag-nanoparticle-modified Ag electrode.

    11. Vibrational characterization of L-valine phosphonate dipeptides: FT-IR, FT-RS, and SERS spectroscopy studies and DFT calculations (pages 958–979)

      Edyta Podstawka-Proniewicz, Marcin Andrzejak, Paweł Kafarski, Younkyoo Kim and Leonard M. Proniewicz

      Version of Record online: 4 NOV 2010 | DOI: 10.1002/jrs.2821

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      In the present work, we show the first experimental and theoretical FT-IR and FT-RS spectra of L-valine (L-Val) phosphonate dipeptides, namely, L-Val-C(Me)2-PO3H2 (V1), L-Val-CH(iP)-PO3H2 (V2), L-Val-CH(iB)-PO3H2 (V3), and L-Val-C(Me)(iP)-PO3H2 (V4). The vibrational wavenumbers and intensities were calculated at the DFT level (B3LYP/6-311 + + G**) and compared to corresponding molecules in the solid state. SERS spectra were recorded in an aqueous silver solution. Based on these spectra, we obtained information on the orientation of these dipeptides as well as specific-competitive interactions of their functionalities with the silver substrate.

    12. Surface-enhanced Raman spectra of dimethoate and omethoate (pages 980–985)

      Luca Guerrini, Santiago Sanchez-Cortes, Victor L. Cruz, Sonia Martinez, Sandra Ristori and Alessandro Feis

      Version of Record online: 4 NOV 2010 | DOI: 10.1002/jrs.2823

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      Surface-enhanced Raman spectra of the organophosphate pesticide dimethoate do not resemble the corresponding ordinary Raman spectra. We propose that a reaction at the metal surface yields omethoate—the oxygen analog of dimethoate—which is also a pesticide. Both spectroscopic and computational results support this proposal.

    13. SERS study of Ag nanoparticles electrodeposited on patterned TiO2 nanotube films (pages 986–991)

      Yongxia Huang, Lan Sun, Kunpeng Xie, Yuekun Lai, Biju Liu, Bin Ren and Changjian Lin

      Version of Record online: 23 NOV 2010 | DOI: 10.1002/jrs.2830

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      Ag nanoparticles (NPs) were deposited on patterned TiO2 nanotube films through the pulse-current (PC) electrodeposition and as a result patterned Ag NP films were achieved. The size and density of as-deposited Ag NPs could be controlled by changing deposition charge density. SERS and SERS mapping have been obtained to evaluate the performance of the patterned Ag NP films.

    14. Tip-heating-assisted Raman spectroscopy at elevated temperatures (pages 992–997)

      Alvarado Tarun, Norihiko Hayazawa, Taka-Aki Yano and Satoshi Kawata

      Version of Record online: 4 NOV 2010 | DOI: 10.1002/jrs.2820

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      We demonstrate tip-heating-assisted enhanced Raman spectroscopy to investigate the temperature dependence of the G-band with nanoscale resolution by utilizing TERS and the controllable nanoscale heat source generated at the tip apex. The technique presented may open up opportunities in the study of controlled heat-assisted biochemical reactions and physical transformations of nanostructures. It can also be used for thermal characterization of various materials requiring site-selective and controllable nanoscale heat sources and might enable the realization of new photothermal devices.

    15. Resonant two-magnon Raman scattering in high-Tc cuprates (pages 998–1006)

      I. Kupčić

      Version of Record online: 21 SEP 2010 | DOI: 10.1002/jrs.2792

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      Resonance enhancement of two-phonon and two-magnon Raman scattering in a general exactly solvable multiband model is explained in a way that is in accordance with the general analytical properties of the total optical conductivity tensor. Using this approach, the charge-transfer limit of the Emery three-band model is examined to explain resonance enhancement of the two-magnon Raman spectra of high-Tc cuprates, found in experiments to be of three orders of magnitude.

    16. Off-resonance Raman analysis of wurtzite CdS ground to the nanoscale: structural and size-related effects (pages 1007–1015)

      T. T. K. Chi, G. Gouadec, Ph. Colomban, G. Wang, L. Mazerolles and N. Q. Liem

      Version of Record online: 25 JAN 2011 | DOI: 10.1002/jrs.2793

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      Raman, XRD and TEM results were compared in as-prepared, ground and hydrostatically pressed CdS platelets. This revealed that previously overlooked off-resonance Raman band groups are related with stacking disorder and grain size. The platelets originally contain cubic nanodomains dispersed in a wurtzite matrix. Extended grinding leads to a progressive transformation of the hexagonal stacking into a cubic one. The same phase transition is observed up to 9 GPa under hydrostatic pressure.

    17. Structure elucidation of fluorescent H1 antihistamines by ultraviolet resonance Raman spectroscopy: solvent structures of tripelennamine and mepyramine (pages 1016–1024)

      Silvia Tardioli, Cees Gooijer and Gert van der Zwan

      Version of Record online: 6 OCT 2010 | DOI: 10.1002/jrs.2810

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      Ultraviolet resonance Raman spectroscopy is applied to fluorescent H1 antihistamines to elucidate their structure as a function of pH. The experimental assignment of the vibrations was achieved with the help of reference structures and quantum chemical calculations. At physiological pH, the side chain influences the Raman enhancement pattern of the pyridine ring considerably due to the formation of an intra-molecular hydrogen bond.

    18. Photofragmentation mechanisms of nickel methyl xanthate—resonance Raman and density functional theory investigation (pages 1025–1033)

      Song-Lin Wei, Ping-Cai Gao, Yan-Ying Zhao, Hui-gang Wang and Xuming Zheng

      Version of Record online: 6 OCT 2010 | DOI: 10.1002/jrs.2814

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      The C-, D-, and E-band resonance Raman intensity patterns of nickel methyl xanthate reveal that the initial photofragmentation reactions are laser-wavelength-dependent. The geminate radical Ni[(S2COMe)]-SC(OMe)S is likely the major transient species following the C-band photofragmentation, while the xanthate radical anion S2COMe and one-ligand–nickel complex radical Ni(S2COMe) photoproducts are expected to form during the D-band photodissociation reaction.

    19. Resonance Raman spectroscopy and theoretical study on the photodissociation dynamics of formanilide in S3 state (pages 1034–1038)

      Kemei Pei, Fanglong Li, Xiaohui Dong and Xuming Zheng

      Version of Record online: 29 SEP 2010 | DOI: 10.1002/jrs.2805

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      Resonance Raman spectra were obtained for Formanilide(FA) in acetonitrile solution with 239.5 and 245.9 nm excitation wavelengths in resonance with the S3 state, and Density functional Theory (DFT) was used to elucidate the electronic transitions and Resonance Raman spectra of FA. The spectra indicate that in the Franck–Condon region photodissociation dynamics have multidimensional character The excited-state dynamics of the S3 state was discussed, and the results were compared with those previously reported for Benzamide(BA) to examine the N or C terminal substituted aromatic effect of peptide bond.

    20. UV-resonance Raman micro-spectroscopy to assess residual chromophores in cellulosic pulps (pages 1039–1045)

      Pedro E. G. Loureiro, António J. S. Fernandes, Fernanda P. Furtado, M. Graça V. S. Carvalho and Dmitry V. Evtuguin

      Version of Record online: 4 NOV 2010 | DOI: 10.1002/jrs.2816

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      Bleaching and ageing of cellulosic pulps were analysed regarding their brightness development and reversion and related to the chemistry of the chromophores. Chromophores were assessed employing UV excitation of 325 nm for the Raman signal. The content of chromophores correlated with the intensity of Raman band at ca 1600 cm−1. Upon reversion, the intensity of this band increases with a concomitant decrease of the intensity of bands at ca 1093 and 1120 cm−1, which are assigned to the decay of oxidized groups in carbohydrates.

    21. General expression for the depolarization ratio for first-order collision-induced light scattering (pages 1046–1048)

      A. Senchuk and G. C. Tabisz

      Version of Record online: 8 DEC 2010 | DOI: 10.1002/jrs.2832

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      A general expression that involves only the ranks of the molecular polarizabilties of the two molecules involved in a pair interaction yielding translational and rotational collision-induced light scatteringis obtained. It may be used to investigate the behaviour of individual interactions that contribute to the incremental collision-induced pair polarizability.

    22. Second-order collision-induced light scattering: a spherical tensor approach (pages 1049–1054)

      A. Senchuk and G. C. Tabisz

      Version of Record online: 8 DEC 2010 | DOI: 10.1002/jrs.2833

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      A general explicit expression for the dipole correlation function relevant to second-order collision-induced light scattering is derived in the spherical tensor formalism. A Mathematica program is given to calculate this autocorrelation function and hence the scattered intensity and depolarization ratio.

    23. Raman spectroscopy as a rapid screening method for ancient plain window glass (pages 1055–1061)

      K. Baert, W. Meulebroeck, H. Wouters, A. Ceglia, K. Nys, H. Thienpont and H. Terryn

      Version of Record online: 21 SEP 2010 | DOI: 10.1002/jrs.2799

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      The potential of Raman spectroscopy as a fast screening method for large amounts of glass samples is highlighted. For many sites, the amount of excavated glass artefacts is enormous and a selection of the most appropriate samples for chemical analysis is necessary. A classification can be made on the basis of the typical Raman signatures for the different kind of glasses.

    24. Micro-Raman spectroscopic study of cord-marked pottery decorated with red coatings from Taiwan, ca 2600–1700 B.C. (pages 1062–1068)

      Ying San Liou, Yi Chang Liu and Hsing Yi Huang

      Version of Record online: 7 OCT 2010 | DOI: 10.1002/jrs.2813

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      Red coating of the decorative cord-marked pottery from Taiwan (ca 2600–1700 B.C.) were examined by micro-Raman, XRD, and SEM-EDX to identify the mineralogical and chemical components. A total of 16 mineral phases and 11 chemical elements were detected, and a consensus has been essentially reached. The results suggest that the pottery were produced from illitic clays and were fired to a temperature less than 800 °C under oxidizing conditions. The clay refining processes used by ancient potters and the raw materials could have been sourced locally.

    25. Transition of synthetic chromium oxide gel to crystalline chromium oxide: a hot-stage Raman spectroscopic study (pages 1069–1074)

      Jing (Jeanne) Yang, Hongfei Cheng, Wayde N. Martens and Ray L. Frost

      Version of Record online: 21 SEP 2010 | DOI: 10.1002/jrs.2794

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      Chromium oxide gel material was synthesised and appeared to be amorphous to X-ray analysis. The changes in the structure of the as-synthesised chromium oxide gel were investigated using hot-stage Raman spectroscopy. The thermally decomposed product of the synthetic chromium oxide gel in nitrogen atmosphere was confirmed to be crystalline Cr2O3.

    26. Observation of carbon-facilitated phase transformation of titanium dioxide forming mixed-phase titania by confocal Raman microscopy (pages 1075–1080)

      A. Chatterjee, S.-B. Wu, P.-W. Chou, M. S. Wong and C.-L. Cheng

      Version of Record online: 7 OCT 2010 | DOI: 10.1002/jrs.2806

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      Confocal Raman microscopy allows us to investigate the phase transformation of titania nanopowder by high laser power annealing from anatase to rutile in particular after carbon inclusion inside or on the surface. Raman signals for anatase phase in the marked area 1* together with rutile phase in the marked area 2* coexisting with intense Raman signals for amorphous carbon evidenced formation of carbon containing mixed phase titania, upon high laser power annealing, where carbon plays a vital role in the phase tansformation.

    27. Evidences of the evolution from solid solution to surface segregation in Ni-doped SnO2 nanoparticles using Raman spectroscopy (pages 1081–1086)

      F. H. Aragón, J. A. H. Coaquira, P. Hidalgo, S. W. da Silva, S. L. M. Brito, D. Gouvêa and P. C. Morais

      Version of Record online: 27 SEP 2010 | DOI: 10.1002/jrs.2802

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      A room-temperature Raman spectrum of Ni-doped nanoparticles doped with 3 mol%. The measurement was carried out using the 488 nm line of an Ar+-laser beam with ∼20 mW power. Typical Raman modes of cassiterite (SnO2) and disorder-induced bands are determined.

    28. Raman study of NiFe2O4 nanoparticles, bulk and films: effect of laser power (pages 1087–1094)

      Anju Ahlawat and V. G. Sathe

      Version of Record online: 26 SEP 2010 | DOI: 10.1002/jrs.2791

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      Raman spectra of NiFe2O4 bulk sample (a) nanocrystalline sample (b) and NiFe2O4 thin film on LaAlO3 substrate (c) in the spectral range 100 cm−1–750 cm−1 (λ = 488 nm). The spectra is collected at various laser powers from 5 mW to 40 mW.

    29. In situ Raman spectroscopy studies on chromium oxide catalyst in an anhydrous hydrogen fluoride atmosphere (pages 1095–1099)

      Liqiong Xing, Qingyuan Bi, Yuejuan Wang, Ming Guo, Jiqing Lu and Mengfei Luo

      Version of Record online: 6 OCT 2010 | DOI: 10.1002/jrs.2811

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      Changes of different chromium oxide species are investigated using in situ Raman spectroscopy in an anhydrous hydrogen fluoride atmosphere. The Cr(VI) (CrO3) and Cr(V) (YCrO4) species are easy to fluorinate and exhibit much higher activity. But the Cr(III) (Cr2O3) species are difficult to fluorinate, so the activity is much lower than the former.

    30. Raman study of a deuterated iron hydroxycarbonate to assess long-term corrosion mechanisms in anoxic soils (pages 1100–1108)

      M. Saheb, D. Neff, L. Bellot-Gurlet and P. Dillmann

      Version of Record online: 7 DEC 2010 | DOI: 10.1002/jrs.2828

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      Corrosion mechanisms of iron in anoxic soils have been investigated by the re-corroding of archaeological samples in a deuterated solution. In order to provide reliable Raman references for further studies on carbonated system, a set of chukanovite samples was synthesised with various D/H ratios on iron discs. Using these reference data, the proportion of deuterated chukanovite in re-corroded artefacts has been evaluated.

    31. Time-resolved Raman studies on Al2O3: Cr3+: lifetime measurements of the excited-state transition Ē [RIGHTWARDS ARROW] (pages 1109–1113)

      Yeny A. Tobon, Denis Bormann, Aurélien Canizares, Nicole Raimboux and Patrick Simon

      Version of Record online: 23 NOV 2010 | DOI: 10.1002/jrs.2834

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      A time-resolved intensified charge coupled device-based Raman microspectrometer system dedicated to the study of solid samples is described. The advantages of this approach are demonstrated on Al2O3: Cr3+, obtaining for the first time the temporal evolution of the excited-state transition Ē [RIGHTWARDS ARROW] 2Ā. Moreover, the time dependence of the luminescence due to chromium was also determined by the same Raman device.

    32. Temperature-dependent Raman scattering studies on Na2Mo2O7 disodium dimolybdate (pages 1114–1119)

      G. D. Saraiva, W. Paraguassu, M. Maczka, P. T. C. Freire, F. F. de Sousa and J. Mendes Filho

      Version of Record online: 23 NOV 2010 | DOI: 10.1002/jrs.2836

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      Temperature-dependent Raman studies and lattice dynamical calculation of disodium dimolybdate (Na2Mo2O7) crystal were performed. The high-temperature Raman scattering study of the crystal shows that it remains in the orthorhombic structure in the 8-848 K range. The behavior of the Raman modes indicates that between 848 and 854 K a phase transition occurs. Lattice dynamical calculation was used to perform the normal mode assignment of the orthorhombic phase of Na2Mo2O7.

    33. A comprehensive spectroscopic study of synthetic Fe2+, Fe3+, Mg2+ and Al3+ copiapite by Raman, XRD, LIBS, MIR and vis–NIR (pages 1120–1129)

      W. G. Kong, Alian Wang, John J. Freeman and Pablo Sobron

      Version of Record online: 26 SEP 2010 | DOI: 10.1002/jrs.2790

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      Mars-relevant copiapite minerals with Fe2+, Fe3+, Mg2+ and Al3+ cation substitutions were synthesized and studied by various spectroscopic methods. We found a systematic Raman peak shift and XRD line shifts caused by cation substitutions, an indication of weakening of selection rules in mid-NIR spectra and a Fe3+ band center shift caused by a Fe2+ electronic transition band in vis-NIR spectrum of ferrous copiapite.

    34. A Raman spectroscopic study of copiapites Fe2+Fe3+(SO4)6(OH)2 · 20H2O: environmental implications (pages 1130–1134)

      Ray L. Frost

      Version of Record online: 6 SEP 2010 | DOI: 10.1002/jrs.2795

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      Raman spectroscopy has been used to study selected mineral samples of the copiapite group Fe2+Fe3+(SO4)6(OH)2 · 20H2O. Two Raman bands are observed at around 992 and 1029 cm−1, assigned to the (SO4)2−ν1 symmetric stretching mode. The observation of two bands provides evidence for the existence of two non-equivalent sulfate anions in the mineral structure.

    35. Evidence of marked glycogen variations in the characteristic Raman signatures of human embryonic stem cells (pages 1135–1141)

      Stanislav O. Konorov, H. Georg Schulze, James M. Piret, Robin F. B. Turner and Michael W. Blades

      Version of Record online: 23 NOV 2010 | DOI: 10.1002/jrs.2829

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      Human embryonic stem cells (hESCs) have distinctive Raman signatures that are potentially useful for nondestructively distinguishing these pluripotent cells from differentiating cells. These signatures may vary during routine hESC culture maintenance and could also be affected by subculturing. In measured spectra, glycogen was identified as the major contributor to spectral variations. This was further confirmed by the similarity between a Raman map of glycogen distribution and a periodic acid Schiff (PAS, carbohydrates) stain of the same area.

    36. Transition of chromium oxyhydroxide nanomaterials to chromium oxide: a hot-stage Raman spectroscopic study (pages 1142–1146)

      Jing (Jeanne) Yang, Wayde N. Martens and Ray L. Frost

      Version of Record online: 28 AUG 2010 | DOI: 10.1002/jrs.2773

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      The transition of disc-like chromium hydroxide nanomaterials to chromium oxide nanomaterials was studied by hot-stage Raman spectroscopy. The Raman spectrum of CrO(OH) is characterised by two intense bands at 823 and 630 cm−1 attributed to ν1 CrIII[BOND]O symmetric stretching mode and the band at 1179 cm−1 attributed to CrIII[BOND]OH δ deformation modes.

    37. Single-crystal Raman spectroscopy of brandholzite Mg[Sb(OH)6]2•6H2O and bottinoite Ni[Sb(OH)6]2• 6H2O and the polycrystalline Raman spectrum of mopungite Na[Sb(OH)6] (pages 1147–1153)

      Llew Rintoul, Silmarilly Bahfenne and Ray L. Frost

      Version of Record online: 27 SEP 2010 | DOI: 10.1002/jrs.2804

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      The single-crystal Raman spectra of minerals brandholzite and bottinoite, formula M[Sb(OH)6]2•6H2O, where M is Mg+2 and Ni+2 respectively, and the non-aligned Raman spectrum of mopungite, formula Na[Sb(OH)6], are presented for the first time. The mixed metal minerals are comprised of alternating layers of [Sb(OH)6]−1 octahedra and mixed [M(H2O)6]+2/[Sb(OH)6]−1 octahedra.

    38. A Raman and infrared spectroscopic study of Ca2+ dominant members of the mixite group from the Czech Republic (pages 1154–1159)

      Jiří Čejka, Jiří Sejkora, Jakub Plášil, Eloise C. Keeffe, Silmarilly Bahfenne, Sara J. Palmer and Ray L. Frost

      Version of Record online: 4 NOV 2010 | DOI: 10.1002/jrs.2817

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      The Ca-dominant members of of the mixite group, zálesíite CaCu6[(AsO4)2(AsO3OH)(OH)6]·3H2O and calciopetersite CaCu6[(PO4)2 (PO3OH)(OH)6]·3H2O, were studied by Raman spectroscopy. The observed bands are assigned to the stretching and bending vibrations of (AsO4)3− and (AsO3OH)2− ions in zálesíite, (PO4)3− and (PO3OH)2− in calciopetersite and to molecular water and hydroxyl ions as well as Cu[BOND](O,OH) units in both minerals.

    39. Raman spectroscopic study of the uranyl titanate mineral euxenite (Y,Ca,U,Ce,Th) (Nb,Ta,Ti)2O6 (pages 1160–1162)

      Ray L. Frost, Sara J. Palmer and B. Jagannadha Reddy

      Version of Record online: 4 NOV 2010 | DOI: 10.1002/jrs.2822

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      Raman spectra of the uranyl titanate mineral euxenite-(Y) were analysed and related to the mineral structure. The mineral is metamict as is evidenced by the intensity of the U[BOND]O stretching and bending modes, which are of lower wavenumber and intensity.

    40. Synthesis and Raman spectroscopic characterisation of hydrotalcites based on the formula Ca6Al2(CO3)(OH)16· 4H2O (pages 1163–1167)

      Ray L. Frost, Sara J. Palmer and Frederick Theiss

      Version of Record online: 8 NOV 2010 | DOI: 10.1002/jrs.2827

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      Insight into the unique structure of hydrotalcites has been obtained using Raman spectroscopy. calcium containing hydrotalcites of formula Ca4Al2(CO3)(OH)12·4H2O (2:1 CaAl-HT), Ca6Al2(CO3)(OH)16·4H2O (3:1 CaAl-HT) and Ca8Al2(CO3)(OH)18·4H2O (4:1 CaAl-HT) have been successfully synthesised and characterised by Raman spectroscopy.

    41. Raman spectroscopy of gallium- and zinc-based hydrotalcites (pages 1168–1173)

      Sara J. Palmer, Ray L. Frost and Laure-Marie Grand

      Version of Record online: 7 DEC 2010 | DOI: 10.1002/jrs.2831

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      Insight into the unique structure of hydrotalcites (HTs) has been obtained using Raman spectroscopy. Gallium-containing HTs of the formula Zn4Ga2(CO3)(OH)12· 4H2O (2:1 ZnGa-HT), Zn6Ga2(CO3)(OH)16· 4H2O (3:1 ZnGa-HT) and Zn8Ga2(CO3)(OH)18· 4H2O (4:1 ZnGa-HT) have been successfully synthesised and characterised by Raman spectroscopy.

    42. A single-crystal Raman and infrared study of the nonlinear optical crystal MBANP (pages 1174–1184)

      R. T. Bailey, F. R. Cruickshank, T. J. Dines, N. Sherwood and M. C. Tedford

      Version of Record online: 7 OCT 2010 | DOI: 10.1002/jrs.2803

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      The Raman spectra of the optically nonlinear crystal MBANP were dominated by three intense bands attributed to vibrations of the pyridine ring, NO2 substituent, and N[BOND]H bond. The largest contribution to the transition polarisability arose from the charge-transfer transition near 383 nm polarised along the b-axis of the crystal The strongest bands in the infrared spectrum were also associated with these transitions, implying efficient electron–phonon coupling.

    43. Why the ΔνCH blue shift is larger in chloral than in dichloroacetyl chloride dimers? (pages 1185–1192)

      Roman Szostak

      Version of Record online: 27 SEP 2010 | DOI: 10.1002/jrs.2808

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      Raman spectra of trichloroacetaldehyde solutions in CCl4/C6D12 of pure Cl3CCHO recorded as a function of temperature and of HCl2CCClO solutions in CCl4 all indicated the formation of (Cl3CCHO)2 and (HCl2CCClO)2 dimers. The ν(C[BOND]H) band in chloral and dichloroacetyl chloride dimers appeared to be blue-shifted by 18 and 9 cm−1, respectively. This may suggest that the C[BOND]H···B blue shift of HB is more likely to occur for compounds with longer and weaker C[BOND]H bond, forming weaker HB complexes.

    44. Electronic and structural effects on the nonlinear optical behavior in π-conjugated structure bis(4-nitrophenyl) carbonate: a vibrational spectroscopic approach (pages 1193–1201)

      C. Ravikumar, Miss Pillai Indu Ramachandra and I. Hubert Joe

      Version of Record online: 13 OCT 2010 | DOI: 10.1002/jrs.2815

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      FT-Raman and IR spectra were used to investigate the potential nonlinear optical material bis(4-nitrophenyl) carbonate. The vibrational analysis, supported by using the scaled quantum mechanical force field technique based on density functional theory calculations, explains the nonlinear optical activity and the charge-transfer interactions of the molecule. The second harmonic generation efficiency of the microcrystalline powders of the molecule was also examined.

  3. Short Communications

    1. Top of page
    2. Rapid Communications
    3. Research Articles
    4. Short Communications
    1. Raman identification of H2CO in aqueous solutions (pages 1202–1204)

      B. Hanoune, L. Paccou, P. Delcroix and Y. Guinet

      Version of Record online: 4 NOV 2010 | DOI: 10.1002/jrs.2826

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      Aqueous formaldehyde solutions of mole fraction from 0.05 to 0.20 were studied by Raman spectroscopy at temperatures up to 180 °C. The previously unreported Raman spectrum of formaldehyde in its non-hydrated form Hequation imageCO has been identified. The experimental spectrum of H2CO in solutions agrees perfectly with that obtained by theoretical calculations.

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